tetracyclo[8.7.0.01,14.05,10]heptadeca-3,12-dien-9-one

C17H22O — CID 11770631

IUPACtetracyclo[8.7.0.01,14.05,10]heptadeca-3,12-dien-9-one
SMILESO=C1CCCC2C=CCC34CCCC3C=CCC124
InChIInChI=1S/C17H22O/c18-15-9-1-5-14-8-3-11-16-10-2-6-13(16)7-4-12-17(14,15)16/h3-4,7-8,13-14H,1-2,5-6,9-12H2
InChIKeySHYGJSQWYZBNMS-UHFFFAOYSA-N
MW242.36 g/mol
LogP4.05
Rot. Bonds

About tetracyclo[8.7.0.01,14.05,10]heptadeca-3,12-dien-9-one

tetracyclo[8.7.0.01,14.05,10]heptadeca-3,12-dien-9-one (PubChem CID 11770631) has the molecular formula C17H22O and a molecular weight of 242.36 g/mol. Its IUPAC name is tetracyclo[8.7.0.01,14.05,10]heptadeca-3,12-dien-9-one.

Molecular Properties

Compound Nametetracyclo[8.7.0.01,14.05,10]heptadeca-3,12-dien-9-one
PubChem CID11770631
Molecular FormulaC17H22O
Molecular Weight242.36 g/mol
Exact Mass242.17
IUPAC Nametetracyclo[8.7.0.01,14.05,10]heptadeca-3,12-dien-9-one
SMILESO=C1CCCC2C=CCC34CCCC3C=CCC124
InChIInChI=1S/C17H22O/c18-15-9-1-5-14-8-3-11-16-10-2-6-13(16)7-4-12-17(14,15)16/h3-4,7-8,13-14H,1-2,5-6,9-12H2
InChIKeySHYGJSQWYZBNMS-UHFFFAOYSA-N
XLogP4.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze tetracyclo[8.7.0.01,14.05,10]heptadeca-3,12-dien-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Androst-5-ene-3,17-dione
CID 160531
Fluasterone
CID 133967
Androstenone
CID 6852393
Cholest-5-en-3-one
CID 9908107
Pregn-5-ene-3,20-dione
CID 150901
5Alpha-Androst-3-En-17-One
CID 11807837
9-Dehydroandrostenedione
CID 239595
Beta-Sitosterone
CID 9801811
4,4a,6,7,8,8a-hexahydro-1,4-methanonaphthalen-5(1H)-one
CID 103487
Trendione
CID 160762
5alpha-Cholesta-8,24-dien-3-one
CID 22298942
3-Dehydro-4-methylzymosterol
CID 24906328

Frequently Asked Questions

What is the IUPAC name of tetracyclo[8.7.0.01,14.05,10]heptadeca-3,12-dien-9-one?
The IUPAC name of tetracyclo[8.7.0.01,14.05,10]heptadeca-3,12-dien-9-one (CID 11770631) is tetracyclo[8.7.0.01,14.05,10]heptadeca-3,12-dien-9-one.
What is the SMILES notation for tetracyclo[8.7.0.01,14.05,10]heptadeca-3,12-dien-9-one?
The canonical SMILES for tetracyclo[8.7.0.01,14.05,10]heptadeca-3,12-dien-9-one is O=C1CCCC2C=CCC34CCCC3C=CCC124.
What is the InChIKey of tetracyclo[8.7.0.01,14.05,10]heptadeca-3,12-dien-9-one?
The InChIKey is SHYGJSQWYZBNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O/c18-15-9-1-5-14-8-3-11-16-10-2-6-13(16)7-4-12-17(14,15)16/h3-4,7-8,13-14H,1-2,5-6,9-12H2.
What are the key properties of tetracyclo[8.7.0.01,14.05,10]heptadeca-3,12-dien-9-one?
tetracyclo[8.7.0.01,14.05,10]heptadeca-3,12-dien-9-one has a molecular weight of 242.36 g/mol, XLogP of 4.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetracyclo[8.7.0.01,14.05,10]heptadeca-3,12-dien-9-one is sourced from PubChem (CID 11770631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).